UCSF

ZINC04059940

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 32 No

Popular Name: pentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate pentyl 4-(6-bromo-1,3-benzodioxo…

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Other Names:

MFCD00327083

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.18 0.22 -8.02 0 6 0 74 504.421 7 ↓
Mid Mid (pH 6-8) 6.36 -1.21 -8.9 0 6 0 74 504.421 7 ↓
Mid Mid (pH 6-8) 6.18 -0.15 -11.25 0 6 0 74 504.421 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )